HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromodibenzo[b,d]furan
4-Bromodibenzo[b,d]furan · DBF-Br · 4-BROMO-DIBENZOURAN · 4-BROMODIBENZOFURAN · Dibenzofuran, 4-bromo- · 4-Bromodibenzofuran >4-Bromo-dibenzofuran 97% · Tianfu chem 4-BROMODIBENZOFURAN · 4-Bromo dibenzofuran: (The last part is a typo and can be omitted.)
![Molekülstruktur von 4-Bromodibenzo[b,d]furan](/img/chemical/458256.png)
Identifikatoren & physikalische Daten
| CAS No. | 89827-45-2 |
|---|---|
| Summenformel | C12H7BrO |
| Durchschnittliche Molmasse | 247,09 g/mol |
| Monoisotopische Masse | 245,96803 g/mol |
| SMILES | Brc1cccc2c1oc1ccccc12 |
| InChIKey | DYTYBRPMNQQFFL-UHFFFAOYSA-N |
| PubChem CID | 458256 |
| EC No. | 804-402-4 |
| DTXSID | DTXSID80332492 |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 13,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 218 |
| Kovats Retention Index | 1865 |
| Collision Cross Section | 137.9 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs] |
| Schmelzpunkt | 67-69℃ |
| Siedepunkt | 220 °C(Press: 40 Torr) |
| Dichte | 1.577 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| InChI | InChI=1S/C12H7BrO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H |
| InChIKey | DYTYBRPMNQQFFL-UHFFFAOYSA-N |
| SMILES | O1C2=CC=CC=C2C2=CC=CC(Br)=C12 |
| CAS Datenbank | 89827-45-2 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%)Eye Irrit. 2A (97.6%)Aquatic Chronic 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29329990 |
| R-Sätze (R) | 22-36-53 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
Versatile scaffold to get entry to 4-substituted dibenzofuranes. Substituted dibenzofuranes have utility in semiconductors and OLED applications.